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Bamifylline
Also known as: 20684-06-4, Bamifylline hcl, Bamiphylline hydrochloride, 8102 cb, Ac 3810, Bamifylline hydrochloride [usan]
Molecular Formula
C20H28ClN5O3
Molecular Weight
421.9  g/mol
InChI Key
PDBXHPORMXSXKO-UHFFFAOYSA-N
FDA UNII
66466QLM3S

1 2D Structure

Bamifylline

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
8-benzyl-7-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-1,3-dimethylpurine-2,6-dione;hydrochloride
2.1.2 InChI
InChI=1S/C20H27N5O3.ClH/c1-4-24(12-13-26)10-11-25-16(14-15-8-6-5-7-9-15)21-18-17(25)19(27)23(3)20(28)22(18)2;/h5-9,26H,4,10-14H2,1-3H3;1H
2.1.3 InChI Key
PDBXHPORMXSXKO-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCN(CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CC3=CC=CC=C3)CCO.Cl
2.2 Other Identifiers
2.2.1 UNII
66466QLM3S
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Bamifylline

2. Bamiphylline

3. Benzetamophylline

4. Trentadil

2.3.2 Depositor-Supplied Synonyms

1. 20684-06-4

2. Bamifylline Hcl

3. Bamiphylline Hydrochloride

4. 8102 Cb

5. Ac 3810

6. Bamifylline Hydrochloride [usan]

7. Bax 2739z

8. 20684-06-4 (hcl)

9. 3736-86-5

10. Bax-2739z

11. 66466qlm3s

12. 8-benzyl-7-(2-(ethyl(2-hydroxyethyl)amino)ethyl)theophylline Monohydrochloride

13. 8-benzyl-7-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-1,3-dimethylpurine-2,6-dione;hydrochloride

14. 1h-purine-2,6-dione, 7-(2-(ethyl(2-hydroxyethyl)amino)ethyl)-3,7-dihydro-1,3-dimethyl-8-(phenylmethyl)-, Monohydrochloride

15. 8102-cb

16. Ac-3810

17. Trentadil

18. Pulmac

19. Dsstox_cid_28647

20. Dsstox_rid_82917

21. Dsstox_gsid_48721

22. Bamifylline Hydrochloride (usan)

23. Briofil

24. Mono-hcl

25. 8-benzyl-7-(2-(ethyl(2-hydroxyethyl)amino)ethyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione Hydrochloride

26. Benzetamophylline Hydrochloride

27. Cas-20684-06-4

28. Bax 2793z

29. Ncgc00182061-02

30. Einecs 243-967-6

31. Cb 8102

32. Unii-66466qlm3s

33. 8'-benzyl-7-(2-(ethyl(2-hydroxyethyl)amino)ethyl)theophylline Hydrochloride

34. 8-benzyl-7-(n-ethyl-n-(beta-hydroxyethyl)aminoethyl)theophylline Hydrochloride

35. 7-(n-(beta-hydroxyethyl)-n-ethyl)-aminoethyl-8-benzyl-theophylline Hydrochloride

36. Schembl637064

37. Chembl2105899

38. Dtxsid4048721

39. Glxc-26021

40. Tox21_113133

41. Bamifylline Hydrochloride [mi]

42. Akos025392166

43. Tox21_113133_1

44. Ks-1411

45. 8-benzyl-7-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-1,3-dimethylpurine-2,6-dione Hydrochloride

46. Theophylline, 8-benzyl-7-(2-(ethyl(2-hydroxyethyl)amino)ethyl)-, Monohydrochloride

47. Bamifylline Hydrochloride [mart.]

48. Ncgc00182061-03

49. 1h-purine-2,6-dione, 7-(2-(ethyl(2-hydroxyethyl)amino)ethyl)-3,7-dihydro-1,3-dimethyl-8-(phenylmethyl)-, Hydrochloride (1:?)

50. Bamifylline Hydrochloride [who-dd]

51. D03051

52. Q27263955

53. 1h-purine-2,6-dione, 7-(2-(ethyl(2-hydroxyethyl)amino)ethyl)-3,7-dihydro-1,3-dimethyl-8-(phenylmethyl)-, Hydrochloride (1:1)

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 421.9 g/mol
Molecular Formula C20H28ClN5O3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass421.1880675 g/mol
Monoisotopic Mass421.1880675 g/mol
Topological Polar Surface Area81.9 Ų
Heavy Atom Count29
Formal Charge0
Complexity554
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Bronchodilator Agents

Agents that cause an increase in the expansion of a bronchus or bronchial tubes. (See all compounds classified as Bronchodilator Agents.)


Analgesics

Compounds capable of relieving pain without the loss of CONSCIOUSNESS. (See all compounds classified as Analgesics.)


Vasodilator Agents

Drugs used to cause dilation of the blood vessels. (See all compounds classified as Vasodilator Agents.)


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